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DocumentationIdentifier: MM28159
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28159 |
| SMILES |
O=CC=CC=CF
|
| InChIKey |
FQKSUOCVVWNWTO-UHFFFAOYSA-N
|
| MW [Da] |
100.09
Automatically obtained from RDkit software. |
| LogP |
1.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM106642
Similarity: 0.7556
Similarity to MM106642
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 118.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106639
Similarity: 0.68
Similarity to MM106639
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8095 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215722
Similarity: 0.6667
Similarity to MM215722
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8092 |
| Dice metric | 0.8 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+239 more
